(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide

C13H19N3O2 — CID 40973673

IUPAC(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)cc1C
InChIInChI=1S/C13H19N3O2/c1-8-5-6-11(9(2)7-8)15-10(3)12(17)16-13(18)14-4/h5-7,10,15H,1-4H3,(H2,14,16,17,18)/t10-/m1/s1
InChIKeyVNOMKSFEGOCMLZ-SNVBAGLBSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds3

About (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide

(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 40973673) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
PubChem CID40973673
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)cc1C
InChIInChI=1S/C13H19N3O2/c1-8-5-6-11(9(2)7-8)15-10(3)12(17)16-13(18)14-4/h5-7,10,15H,1-4H3,(H2,14,16,17,18)/t10-/m1/s1
InChIKeyVNOMKSFEGOCMLZ-SNVBAGLBSA-N
XLogP1.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide
CID 51286469
2-(2,4-dimethylanilino)propanehydrazide
CID 23861884
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide
CID 94796559
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide
CID 54955172
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43385595
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
(2R)-N-(2-acetylphenyl)-2-(2,4-dimethylanilino)propanamide
CID 35906873

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide (CID 40973673) is (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)cc1C.
What is the InChIKey of (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is VNOMKSFEGOCMLZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-5-6-11(9(2)7-8)15-10(3)12(17)16-13(18)14-4/h5-7,10,15H,1-4H3,(H2,14,16,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide?
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 40973673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).